MKR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.30Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | N2 | sing | 1.40Å | 1.42Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | N12 | sing | 1.27Å | 1.24Å | |
| N2 | C15 | sing | 1.49Å | 1.39Å | |
| N12 | C8 | doub | 1.30Å | 1.32Å | |
| C8 | C20 | sing | 1.41Å | 1.53Å | |
| C8 | C14 | sing | 1.52Å | 1.65Å | |
| C14 | C18 | sing | 1.51Å | 1.60Å | |
| C14 | C10 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| C15 | C7 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | C26 | doub | 1.38Å | 1.46Å | Aromatic |
| C18 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | O25 | doub | 1.22Å | 1.23Å | |
| C20 | C9 | sing | 1.51Å | 1.57Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O1 | C7 | sing | 1.43Å | 1.39Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | N3 | sing | 1.47Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.47Å | 1.50Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C16 | C19 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C21 | sing | 1.53Å | 1.57Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C19 | N1 | sing | 1.47Å | 1.56Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | N1 | sing | 1.47Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N1 | C22 | sing | 1.35Å | 1.41Å | |
| C22 | O2 | doub | 1.21Å | 1.25Å | |
| C22 | C24 | sing | 1.51Å | 1.57Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 126.0° | 119.8° |
| C2 | C1 | F1 | 121.0° | 120.1° |
| C1 | C2 | C3 | 114.0° | 119.7° |
| C1 | C2 | H2 | 123.0° | 120.1° |
| C6 | C1 | F1 | 113.0° | 120.1° |
| C1 | C6 | C5 | 119.0° | 120.6° |
| C1 | C6 | H6 | 120.5° | 119.7° |
| C3 | C2 | H2 | 123.0° | 120.2° |
| C2 | C3 | N2 | 124.2° | 121.9° |
| C2 | C3 | C4 | 119.6° | 120.8° |
| N2 | C3 | C4 | 116.1° | 117.3° |
| C3 | N2 | N12 | 123.4° | 130.0° |
| C3 | N2 | C15 | 122.9° | 119.8° |
| C3 | C4 | O1 | 118.8° | 121.1° |
| C3 | C4 | C5 | 125.9° | 119.0° |
| O1 | C4 | C5 | 115.3° | 120.0° |
| C4 | O1 | C7 | 111.3° | 119.8° |
| C4 | C5 | C6 | 115.4° | 120.1° |
| C4 | C5 | H5 | 122.2° | 119.9° |
| C6 | C5 | H5 | 122.3° | 119.9° |
| C5 | C6 | H6 | 120.5° | 119.7° |
| N12 | N2 | C15 | 111.5° | 110.1° |
| N2 | N12 | C8 | 117.9° | 115.9° |
| N2 | C15 | C14 | 109.0° | 102.2° |
| N2 | C15 | C7 | 97.6° | 105.9° |
| N2 | C15 | H15 | 117.9° | 112.3° |
| N12 | C8 | C20 | 125.5° | 125.9° |
| N12 | C8 | C14 | 105.6° | 108.2° |
| C20 | C8 | C14 | 128.8° | 125.9° |
| C8 | C20 | O25 | 113.2° | 120.0° |
| C8 | C20 | C9 | 123.6° | 120.0° |
| C8 | C14 | C18 | 112.8° | 111.0° |
| C8 | C14 | C10 | 109.6° | 111.0° |
| C8 | C14 | C15 | 95.9° | 101.8° |
| C18 | C14 | C10 | 113.0° | 110.9° |
| C18 | C14 | C15 | 119.0° | 110.9° |
| C14 | C18 | C26 | 116.0° | 120.0° |
| C14 | C18 | C30 | 126.6° | 120.0° |
| C10 | C14 | C15 | 105.1° | 111.0° |
| C14 | C10 | C11 | 115.8° | 109.5° |
| C14 | C10 | H101 | 107.4° | 109.5° |
| C14 | C10 | H102 | 105.9° | 109.4° |
| C14 | C15 | C7 | 111.9° | 111.3° |
| C14 | C15 | H15 | 105.1° | 112.1° |
| C7 | C15 | H15 | 115.3° | 112.5° |
| C15 | C7 | O1 | 110.0° | 108.6° |
| C15 | C7 | H71 | 109.3° | 109.5° |
| C15 | C7 | H72 | 109.2° | 109.6° |
| C26 | C18 | C30 | 117.3° | 120.0° |
| C18 | C26 | C27 | 124.9° | 120.0° |
| C18 | C26 | H26 | 117.6° | 120.0° |
| C18 | C30 | C29 | 121.8° | 120.0° |
| C18 | C30 | H30 | 119.1° | 120.1° |
| O25 | C20 | C9 | 122.7° | 120.0° |
| C20 | C9 | H91 | 109.5° | 109.4° |
| C20 | C9 | H92 | 109.5° | 109.5° |
| C20 | C9 | H93 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| C27 | C26 | H26 | 117.5° | 120.0° |
| C26 | C27 | C28 | 113.2° | 120.0° |
| C26 | C27 | H27 | 123.4° | 120.0° |
| C28 | C27 | H27 | 123.4° | 120.0° |
| C27 | C28 | C29 | 121.9° | 120.0° |
| C27 | C28 | H28 | 119.1° | 119.9° |
| C29 | C28 | H28 | 119.0° | 120.1° |
| C28 | C29 | C30 | 120.8° | 120.0° |
| C28 | C29 | H29 | 119.6° | 120.0° |
| C30 | C29 | H29 | 119.6° | 120.0° |
| C29 | C30 | H30 | 119.1° | 119.9° |
| O1 | C7 | H71 | 109.3° | 109.6° |
| O1 | C7 | H72 | 109.2° | 109.7° |
| H71 | C7 | H72 | 109.9° | 109.8° |
| C11 | C10 | H101 | 107.4° | 109.5° |
| C11 | C10 | H102 | 106.0° | 109.5° |
| C10 | C11 | C12 | 120.6° | 109.5° |
| C10 | C11 | H111 | 105.9° | 109.5° |
| C10 | C11 | H112 | 103.3° | 109.5° |
| H101 | C10 | H102 | 114.6° | 109.5° |
| C12 | C11 | H111 | 105.9° | 109.5° |
| C12 | C11 | H112 | 103.3° | 109.4° |
| C11 | C12 | N3 | 109.8° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.4° |
| H111 | C11 | H112 | 118.7° | 109.5° |
| N3 | C12 | H121 | 109.4° | 109.5° |
| N3 | C12 | H122 | 109.3° | 109.5° |
| C12 | N3 | C16 | 108.8° | 111.0° |
| C12 | N3 | C17 | 125.7° | 111.0° |
| H121 | C12 | H122 | 109.7° | 109.4° |
| C16 | N3 | C17 | 114.5° | 111.2° |
| N3 | C16 | C19 | 103.1° | 109.4° |
| N3 | C16 | H161 | 111.6° | 109.5° |
| N3 | C16 | H162 | 113.0° | 109.5° |
| N3 | C17 | C21 | 103.1° | 109.3° |
| N3 | C17 | H171 | 111.7° | 109.5° |
| N3 | C17 | H172 | 113.0° | 109.5° |
| C19 | C16 | H161 | 111.7° | 109.5° |
| C19 | C16 | H162 | 113.0° | 109.5° |
| C16 | C19 | N1 | 103.5° | 108.5° |
| C16 | C19 | H191 | 111.5° | 109.7° |
| C16 | C19 | H192 | 112.8° | 109.6° |
| H161 | C16 | H162 | 104.7° | 109.5° |
| C21 | C17 | H171 | 111.7° | 109.5° |
| C21 | C17 | H172 | 113.0° | 109.5° |
| C17 | C21 | N1 | 114.2° | 108.5° |
| C17 | C21 | H211 | 107.9° | 109.6° |
| C17 | C21 | H212 | 106.9° | 109.6° |
| H171 | C17 | H172 | 104.6° | 109.6° |
| N1 | C19 | H191 | 111.5° | 109.6° |
| N1 | C19 | H192 | 112.8° | 109.6° |
| C19 | N1 | C21 | 118.6° | 118.2° |
| C19 | N1 | C22 | 118.7° | 120.9° |
| H191 | C19 | H192 | 105.0° | 109.8° |
| N1 | C21 | H211 | 107.9° | 109.6° |
| N1 | C21 | H212 | 106.9° | 109.6° |
| C21 | N1 | C22 | 122.8° | 120.9° |
| H211 | C21 | H212 | 113.2° | 109.8° |
| N1 | C22 | O2 | 123.1° | 120.0° |
| N1 | C22 | C24 | 109.0° | 120.0° |
| O2 | C22 | C24 | 127.8° | 120.0° |
| C22 | C24 | H241 | 109.5° | 109.4° |
| C22 | C24 | H242 | 109.5° | 109.4° |
| C22 | C24 | H243 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | F1 | 179.5° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N2 | 178.6° | 179.5° |
| C1 | C2 | C3 | C4 | 2.4° | 0.1° |
| C2 | C1 | C6 | C5 | 1.5° | 0.1° |
| C2 | C1 | C6 | H6 | 178.5° | 179.8° |
| C6 | C1 | C2 | C3 | 0.3° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C1 | C6 | C5 | C4 | 1.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.0° | 179.9° |
| F1 | C1 | C2 | C3 | 179.8° | 179.5° |
| F1 | C1 | C2 | H2 | 0.2° | 0.4° |
| F1 | C1 | C6 | C5 | 178.0° | 179.5° |
| F1 | C1 | C6 | H6 | 2.0° | 0.5° |
| C2 | C3 | N2 | C4 | 176.4° | 179.6° |
| C2 | C3 | C4 | O1 | 175.5° | 179.3° |
| C2 | C3 | C4 | C5 | 3.0° | 0.3° |
| C2 | C3 | N2 | N12 | 28.1° | 21.9° |
| C2 | C3 | N2 | C15 | 169.8° | 162.2° |
| H2 | C2 | C3 | N2 | 1.4° | 0.5° |
| H2 | C2 | C3 | C4 | 177.6° | 179.9° |
| N2 | C3 | C4 | O1 | 1.0° | 1.0° |
| N2 | C3 | C4 | C5 | 179.6° | 179.3° |
| C3 | N2 | N12 | C15 | 163.9° | 176.2° |
| C3 | N2 | N12 | C8 | 161.6° | 164.4° |
| C3 | N2 | C15 | C14 | 162.1° | 162.6° |
| C3 | N2 | C15 | C7 | 45.7° | 46.0° |
| C3 | N2 | C15 | H15 | 78.3° | 77.1° |
| C3 | C4 | O1 | C5 | 178.7° | 179.6° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C3 | C4 | C5 | H5 | 178.8° | 179.7° |
| C4 | C3 | N2 | N12 | 148.3° | 157.7° |
| C4 | C3 | N2 | C15 | 13.8° | 18.2° |
| C3 | C4 | O1 | C7 | 25.2° | 17.7° |
| O1 | C4 | C5 | C6 | 177.4° | 179.3° |
| O1 | C4 | C5 | H5 | 2.6° | 0.7° |
| C4 | O1 | C7 | C15 | 65.3° | 47.0° |
| C4 | O1 | C7 | H71 | 54.7° | 72.7° |
| C4 | O1 | C7 | H72 | 174.9° | 166.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.0° | 179.9° |
| C5 | C4 | O1 | C7 | 153.5° | 162.7° |
| H5 | C5 | C6 | H6 | 1.0° | 0.1° |
| N2 | N12 | C8 | C20 | 178.8° | 176.3° |
| N2 | N12 | C8 | C14 | 1.6° | 3.7° |
| N12 | N2 | C15 | C14 | 1.9° | 14.0° |
| N12 | N2 | C15 | C7 | 118.2° | 130.7° |
| N12 | N2 | C15 | H15 | 117.7° | 106.2° |
| C15 | N2 | N12 | C8 | 2.3° | 11.8° |
| N2 | C15 | C14 | C8 | 0.8° | 10.9° |
| N2 | C15 | C14 | C18 | 119.3° | 107.2° |
| N2 | C15 | C14 | C10 | 113.0° | 129.1° |
| N2 | C15 | C14 | C7 | 106.9° | 112.6° |
| N2 | C15 | C14 | H15 | 127.3° | 120.4° |
| N2 | C15 | C7 | H15 | 125.9° | 123.0° |
| N2 | C15 | C7 | O1 | 71.7° | 57.2° |
| N2 | C15 | C7 | H71 | 48.3° | 62.4° |
| N2 | C15 | C7 | H72 | 168.5° | 177.0° |
| N12 | C8 | C20 | C14 | 176.5° | 179.9° |
| N12 | C8 | C14 | C18 | 125.2° | 112.6° |
| N12 | C8 | C14 | C10 | 108.0° | 123.6° |
| N12 | C8 | C14 | C15 | 0.3° | 5.5° |
| N12 | C8 | C20 | O25 | 164.4° | 174.8° |
| N12 | C8 | C20 | C9 | 7.3° | 5.1° |
| C20 | C8 | C14 | C18 | 57.7° | 67.3° |
| C20 | C8 | C14 | C10 | 69.0° | 56.4° |
| C20 | C8 | C14 | C15 | 177.4° | 174.6° |
| C8 | C20 | O25 | C9 | 171.8° | 180.0° |
| C8 | C20 | C9 | H91 | 46.5° | 0.0° |
| C8 | C20 | C9 | H92 | 166.5° | 120.0° |
| C8 | C20 | C9 | H93 | 73.5° | 120.0° |
| C8 | C14 | C18 | C10 | 125.0° | 123.8° |
| C8 | C14 | C18 | C15 | 111.1° | 112.4° |
| C8 | C14 | C10 | C15 | 102.1° | 112.5° |
| C8 | C14 | C15 | C7 | 107.7° | 123.6° |
| C8 | C14 | C15 | H15 | 126.5° | 109.5° |
| C8 | C14 | C18 | C26 | 36.4° | 7.2° |
| C8 | C14 | C18 | C30 | 140.7° | 172.5° |
| C14 | C8 | C20 | O25 | 12.1° | 5.2° |
| C14 | C8 | C20 | C9 | 176.1° | 174.8° |
| C8 | C14 | C10 | C11 | 40.9° | 54.7° |
| C8 | C14 | C10 | H101 | 160.9° | 174.8° |
| C8 | C14 | C10 | H102 | 76.3° | 65.3° |
| C18 | C14 | C10 | C15 | 131.3° | 123.8° |
| C18 | C14 | C15 | C7 | 12.4° | 5.4° |
| C18 | C14 | C15 | H15 | 113.4° | 132.4° |
| C14 | C18 | C26 | C30 | 177.4° | 179.7° |
| C14 | C18 | C26 | C27 | 178.8° | 180.0° |
| C14 | C18 | C26 | H26 | 1.2° | 0.1° |
| C14 | C18 | C30 | C29 | 179.5° | 179.8° |
| C14 | C18 | C30 | H30 | 0.4° | 0.1° |
| C18 | C14 | C10 | C11 | 167.5° | 178.5° |
| C18 | C14 | C10 | H101 | 72.5° | 61.5° |
| C18 | C14 | C10 | H102 | 50.4° | 58.5° |
| C10 | C14 | C15 | C7 | 140.2° | 118.3° |
| C10 | C14 | C15 | H15 | 14.3° | 8.7° |
| C10 | C14 | C18 | C26 | 161.4° | 131.0° |
| C10 | C14 | C18 | C30 | 15.8° | 48.7° |
| C14 | C10 | C11 | H101 | 120.0° | 120.0° |
| C14 | C10 | C11 | H102 | 117.1° | 120.0° |
| C14 | C10 | H101 | H102 | 117.4° | 119.9° |
| C14 | C10 | C11 | C12 | 154.1° | 178.2° |
| C14 | C10 | C11 | H111 | 34.0° | 61.8° |
| C14 | C10 | C11 | H112 | 91.4° | 58.2° |
| C14 | C15 | C7 | H15 | 120.0° | 126.7° |
| C15 | C14 | C18 | C26 | 74.7° | 105.2° |
| C15 | C14 | C18 | C30 | 108.2° | 75.1° |
| C14 | C15 | C7 | O1 | 174.2° | 167.5° |
| C14 | C15 | C7 | H71 | 65.8° | 47.8° |
| C14 | C15 | C7 | H72 | 54.4° | 72.7° |
| C15 | C14 | C10 | C11 | 61.2° | 57.7° |
| C15 | C14 | C10 | H101 | 58.8° | 62.3° |
| C15 | C14 | C10 | H102 | 178.3° | 177.7° |
| C15 | C7 | O1 | H71 | 120.0° | 119.6° |
| C15 | C7 | O1 | H72 | 119.8° | 119.8° |
| C15 | C7 | H71 | H72 | 119.8° | 120.5° |
| H15 | C15 | C7 | O1 | 54.2° | 65.8° |
| H15 | C15 | C7 | H71 | 174.1° | 174.6° |
| H15 | C15 | C7 | H72 | 65.6° | 54.0° |
| C18 | C26 | C27 | H26 | 180.0° | 179.9° |
| C18 | C26 | C27 | C28 | 2.0° | 0.1° |
| C18 | C26 | C27 | H27 | 178.0° | 180.0° |
| C26 | C18 | C30 | C29 | 2.4° | 0.5° |
| C26 | C18 | C30 | H30 | 177.6° | 179.7° |
| C30 | C18 | C26 | C27 | 3.8° | 0.3° |
| C30 | C18 | C26 | H26 | 176.2° | 179.7° |
| C18 | C30 | C29 | C28 | 0.4° | 0.4° |
| C18 | C30 | C29 | H30 | 180.0° | 179.8° |
| C18 | C30 | C29 | H29 | 179.6° | 179.7° |
| O25 | C20 | C9 | H91 | 124.5° | 180.0° |
| O25 | C20 | C9 | H92 | 4.5° | 60.0° |
| O25 | C20 | C9 | H93 | 115.5° | 60.0° |
| C20 | C9 | H91 | H92 | 120.0° | 120.0° |
| C20 | C9 | H91 | H93 | 120.0° | 120.0° |
| C20 | C9 | H92 | H93 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.0° | 0.0° |
| C26 | C27 | C28 | H28 | 179.0° | 179.9° |
| H26 | C26 | C27 | C28 | 178.0° | 180.0° |
| H26 | C26 | C27 | H27 | 2.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 2.3° | 0.2° |
| C27 | C28 | C29 | H29 | 177.7° | 179.9° |
| H27 | C27 | C28 | C29 | 179.0° | 180.0° |
| H27 | C27 | C28 | H28 | 1.0° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | H30 | 179.6° | 179.8° |
| H28 | C28 | C29 | C30 | 177.7° | 179.9° |
| H28 | C28 | C29 | H29 | 2.3° | 0.0° |
| H29 | C29 | C30 | H30 | 0.4° | 0.1° |
| O1 | C7 | H71 | H72 | 119.8° | 120.5° |
| C11 | C10 | H101 | H102 | 117.4° | 120.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.1° |
| C10 | C11 | C12 | H112 | 114.5° | 120.0° |
| C10 | C11 | H111 | H112 | 115.4° | 120.0° |
| C10 | C11 | C12 | N3 | 144.7° | 180.0° |
| C10 | C11 | C12 | H121 | 24.7° | 59.9° |
| C10 | C11 | C12 | H122 | 95.5° | 60.0° |
| H101 | C10 | C11 | C12 | 85.9° | 58.1° |
| H101 | C10 | C11 | H111 | 154.0° | 178.2° |
| H101 | C10 | C11 | H112 | 28.6° | 61.8° |
| H102 | C10 | C11 | C12 | 37.0° | 61.9° |
| H102 | C10 | C11 | H111 | 83.1° | 58.2° |
| H102 | C10 | C11 | H112 | 151.5° | 178.2° |
| C12 | C11 | H111 | H112 | 115.4° | 120.0° |
| C11 | C12 | N3 | H121 | 120.0° | 120.0° |
| C11 | C12 | N3 | H122 | 119.9° | 120.0° |
| C11 | C12 | H121 | H122 | 119.9° | 120.0° |
| C11 | C12 | N3 | C16 | 98.5° | 170.0° |
| C11 | C12 | N3 | C17 | 119.8° | 65.7° |
| H111 | C11 | C12 | N3 | 95.3° | 60.0° |
| H111 | C11 | C12 | H121 | 144.7° | 180.0° |
| H111 | C11 | C12 | H122 | 24.6° | 60.1° |
| H112 | C11 | C12 | N3 | 30.2° | 60.0° |
| H112 | C11 | C12 | H121 | 89.8° | 60.0° |
| H112 | C11 | C12 | H122 | 150.0° | 180.0° |
| N3 | C12 | H121 | H122 | 119.9° | 120.0° |
| C12 | N3 | C16 | C17 | 146.4° | 124.1° |
| C12 | N3 | C16 | C19 | 64.8° | 172.7° |
| C12 | N3 | C16 | H161 | 55.2° | 67.2° |
| C12 | N3 | C16 | H162 | 172.8° | 52.8° |
| C12 | N3 | C17 | C21 | 73.1° | 172.7° |
| C12 | N3 | C17 | H171 | 166.9° | 52.8° |
| C12 | N3 | C17 | H172 | 49.3° | 67.3° |
| H121 | C12 | N3 | C16 | 141.5° | 69.9° |
| H121 | C12 | N3 | C17 | 0.2° | 54.3° |
| H122 | C12 | N3 | C16 | 21.4° | 50.0° |
| H122 | C12 | N3 | C17 | 120.3° | 174.3° |
| N3 | C16 | C19 | H161 | 120.0° | 120.0° |
| N3 | C16 | C19 | H162 | 122.3° | 119.9° |
| N3 | C16 | H161 | H162 | 122.6° | 120.0° |
| C16 | N3 | C17 | C21 | 66.8° | 63.1° |
| C16 | N3 | C17 | H171 | 53.2° | 176.9° |
| C16 | N3 | C17 | H172 | 170.8° | 56.8° |
| N3 | C16 | C19 | N1 | 62.4° | 53.8° |
| N3 | C16 | C19 | H191 | 57.6° | 173.6° |
| N3 | C16 | C19 | H192 | 175.4° | 65.8° |
| C17 | N3 | C16 | C19 | 81.6° | 63.1° |
| C17 | N3 | C16 | H161 | 158.4° | 56.9° |
| C17 | N3 | C16 | H162 | 40.7° | 176.9° |
| N3 | C17 | C21 | H171 | 120.0° | 120.0° |
| N3 | C17 | C21 | H172 | 122.3° | 119.9° |
| N3 | C17 | H171 | H172 | 122.6° | 120.1° |
| N3 | C17 | C21 | N1 | 42.8° | 53.8° |
| N3 | C17 | C21 | H211 | 162.8° | 65.9° |
| N3 | C17 | C21 | H212 | 75.2° | 173.5° |
| C19 | C16 | H161 | H162 | 122.6° | 120.1° |
| C16 | C19 | N1 | H191 | 120.0° | 119.7° |
| C16 | C19 | N1 | H192 | 122.2° | 119.7° |
| C16 | C19 | H191 | H192 | 122.4° | 120.5° |
| C16 | C19 | N1 | C21 | 49.7° | 51.1° |
| C16 | C19 | N1 | C22 | 129.3° | 128.8° |
| H161 | C16 | C19 | N1 | 177.6° | 66.2° |
| H161 | C16 | C19 | H191 | 62.4° | 53.5° |
| H161 | C16 | C19 | H192 | 55.5° | 174.2° |
| H162 | C16 | C19 | N1 | 60.0° | 173.8° |
| H162 | C16 | C19 | H191 | 180.0° | 66.5° |
| H162 | C16 | C19 | H192 | 62.2° | 54.1° |
| C21 | C17 | H171 | H172 | 122.6° | 120.1° |
| C17 | C21 | N1 | C19 | 41.0° | 51.2° |
| C17 | C21 | N1 | H211 | 120.0° | 119.7° |
| C17 | C21 | N1 | H212 | 117.9° | 119.7° |
| C17 | C21 | H211 | H212 | 118.0° | 120.5° |
| C17 | C21 | N1 | C22 | 138.0° | 128.8° |
| H171 | C17 | C21 | N1 | 77.2° | 173.8° |
| H171 | C17 | C21 | H211 | 42.8° | 54.1° |
| H171 | C17 | C21 | H212 | 164.8° | 66.5° |
| H172 | C17 | C21 | N1 | 165.1° | 66.1° |
| H172 | C17 | C21 | H211 | 74.8° | 174.2° |
| H172 | C17 | C21 | H212 | 47.2° | 53.6° |
| N1 | C19 | H191 | H192 | 122.4° | 120.5° |
| C19 | N1 | C21 | C22 | 179.0° | 180.0° |
| C19 | N1 | C21 | H211 | 161.0° | 68.5° |
| C19 | N1 | C21 | H212 | 76.9° | 170.9° |
| C19 | N1 | C22 | O2 | 10.9° | 5.2° |
| C19 | N1 | C22 | C24 | 166.1° | 174.9° |
| H191 | C19 | N1 | C21 | 70.3° | 170.9° |
| H191 | C19 | N1 | C22 | 110.7° | 9.1° |
| H192 | C19 | N1 | C21 | 171.9° | 68.5° |
| H192 | C19 | N1 | C22 | 7.1° | 111.5° |
| N1 | C21 | H211 | H212 | 118.1° | 120.4° |
| C21 | N1 | C22 | O2 | 170.2° | 174.8° |
| C21 | N1 | C22 | C24 | 12.8° | 5.1° |
| H211 | C21 | N1 | C22 | 17.9° | 111.5° |
| H212 | C21 | N1 | C22 | 104.1° | 9.1° |
| N1 | C22 | O2 | C24 | 176.4° | 180.0° |
| N1 | C22 | C24 | H241 | 52.7° | 5.6° |
| N1 | C22 | C24 | H242 | 172.7° | 125.5° |
| N1 | C22 | C24 | H243 | 67.3° | 114.4° |
| O2 | C22 | C24 | H241 | 130.5° | 174.4° |
| O2 | C22 | C24 | H242 | 10.5° | 54.5° |
| O2 | C22 | C24 | H243 | 109.5° | 65.5° |
| C22 | C24 | H241 | H242 | 120.0° | 119.9° |
| C22 | C24 | H241 | H243 | 120.0° | 120.0° |
| C22 | C24 | H242 | H243 | 120.0° | 120.1° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
